CID 129516774

2117402-40-9

Structural Information

Molecular Formula
C13H19NO6
SMILES
CC(C)(C)OC(=O)N1CC2(CC1(C2)C(=O)OC)C(=O)O
InChI
InChI=1S/C13H19NO6/c1-11(2,3)20-10(18)14-7-12(8(15)16)5-13(14,6-12)9(17)19-4/h5-7H2,1-4H3,(H,15,16)
InChIKey
GSFAZRYNAIKACS-UHFFFAOYSA-N
Compound name
1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12125 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 164.9
[M+Na]+ 308.11047 164.0
[M+NH4]+ 303.15507 168.4
[M+K]+ 324.08441 165.1
[M-H]- 284.11397 154.9
[M+Na-2H]- 306.09592 159.2
[M]+ 285.12070 160.5
[M]- 285.12180 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.